Pinned Repositories
coaler
CoAler = Core Aligner (Multi-Alignment of Molecules)
ant_colony_optimization
ChemWeaver
k_means
mcs_screen
mcs_screen is a Python script for molecular screening using RDKit. It identifies potentially active molecules dissimilar to a set of known inactives using MCS calculation.
molsim
screen-forest
simple-qsar
A simples script for QSAR modelling with CLI.
tanimoto
PredmiRNA
A set of scripts and tools to train a classifier for pre-miRNA Recognition
mariusrueve's Repositories
mariusrueve/ChemWeaver
mariusrueve/mcs_screen
mcs_screen is a Python script for molecular screening using RDKit. It identifies potentially active molecules dissimilar to a set of known inactives using MCS calculation.
mariusrueve/molsim
mariusrueve/screen-forest
mariusrueve/simple-qsar
A simples script for QSAR modelling with CLI.
mariusrueve/tanimoto
mariusrueve/ant_colony_optimization
mariusrueve/k_means
mariusrueve/mariusrueve.github.io
mariusrueve/mrtodo
Command-Line To-Do App With Python and Typer
mariusrueve/scrnaseq
UNDER DEVELOPMENT: Workflow for single-cell RNA-seq analysis using Seurat
mariusrueve/scrnaseq_app
UNDER DEVELOPMENT: Shiny app for visualisation of scRNASeq data
mariusrueve/scrnaseq_cerebro
mariusrueve/kickstart.nvim
A launch point for your personal nvim configuration
mariusrueve/tanimoto-kernel